10-[2-[2,4-di(quinazolin-5-yl)phenyl]phenyl]phenoxazine

C40H25N5O — CID 122430932

IUPAC10-[2-[2,4-di(quinazolin-5-yl)phenyl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccccc1-c1ccc(-c2cccc3ncncc23)cc1-c1cccc2ncncc12
InChIInChI=1S/C40H25N5O/c1-2-14-36(45-37-15-3-5-17-39(37)46-40-18-6-4-16-38(40)45)30(9-1)29-20-19-26(27-10-7-12-34-32(27)22-41-24-43-34)21-31(29)28-11-8-13-35-33(28)23-42-25-44-35/h1-25H
InChIKeyRGAPHYVKCZINDP-UHFFFAOYSA-N
MW591.67 g/mol
LogP10.15
Rot. Bonds4

About 10-[2-[2,4-di(quinazolin-5-yl)phenyl]phenyl]phenoxazine

10-[2-[2,4-di(quinazolin-5-yl)phenyl]phenyl]phenoxazine (PubChem CID 122430932) has the molecular formula C40H25N5O and a molecular weight of 591.67 g/mol. Its IUPAC name is 10-[2-[2,4-di(quinazolin-5-yl)phenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[2-[2,4-di(quinazolin-5-yl)phenyl]phenyl]phenoxazine
PubChem CID122430932
Molecular FormulaC40H25N5O
Molecular Weight591.67 g/mol
Exact Mass591.21
IUPAC Name10-[2-[2,4-di(quinazolin-5-yl)phenyl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccccc1-c1ccc(-c2cccc3ncncc23)cc1-c1cccc2ncncc12
InChIInChI=1S/C40H25N5O/c1-2-14-36(45-37-15-3-5-17-39(37)46-40-18-6-4-16-38(40)45)30(9-1)29-20-19-26(27-10-7-12-34-32(27)22-41-24-43-34)21-31(29)28-11-8-13-35-33(28)23-42-25-44-35/h1-25H
InChIKeyRGAPHYVKCZINDP-UHFFFAOYSA-N
XLogP10.15
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.67
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10316876
4-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10316875
2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
CID 11495114
4-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 16748085
7-(2-Ethoxy-5-pyridin-3-ylphenyl)quinazoline-2,4-diamine
CID 56679775
5-(((2-Methylpyridin-3-yl)oxy)methyl)quinazoline-2,4-diamine
CID 137636390
5-[(8-Methoxy-2-methyl-7-prop-2-enylquinolin-5-yl)methyl]pyrimidine-2,4-diamine
CID 12849779
5-[(8-Methoxy-7-propylquinolin-5-yl)methyl]pyrimidine-2,4-diamine
CID 12849783
2-(5-methoxy-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 68204905
6-(3-morpholin-4-ylphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 71663850
US10167270, Example 127
CID 124168452
6-fluoro-2-N-(4-fluoro-2-methoxyphenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
CID 164514657

Frequently Asked Questions

What is the IUPAC name of 10-[2-[2,4-di(quinazolin-5-yl)phenyl]phenyl]phenoxazine?
The IUPAC name of 10-[2-[2,4-di(quinazolin-5-yl)phenyl]phenyl]phenoxazine (CID 122430932) is 10-[2-[2,4-di(quinazolin-5-yl)phenyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[2-[2,4-di(quinazolin-5-yl)phenyl]phenyl]phenoxazine?
The canonical SMILES for 10-[2-[2,4-di(quinazolin-5-yl)phenyl]phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccccc1-c1ccc(-c2cccc3ncncc23)cc1-c1cccc2ncncc12.
What is the InChIKey of 10-[2-[2,4-di(quinazolin-5-yl)phenyl]phenyl]phenoxazine?
The InChIKey is RGAPHYVKCZINDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5O/c1-2-14-36(45-37-15-3-5-17-39(37)46-40-18-6-4-16-38(40)45)30(9-1)29-20-19-26(27-10-7-12-34-32(27)22-41-24-43-34)21-31(29)28-11-8-13-35-33(28)23-42-25-44-35/h1-25H.
What are the key properties of 10-[2-[2,4-di(quinazolin-5-yl)phenyl]phenyl]phenoxazine?
10-[2-[2,4-di(quinazolin-5-yl)phenyl]phenyl]phenoxazine has a molecular weight of 591.67 g/mol, XLogP of 10.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[2,4-di(quinazolin-5-yl)phenyl]phenyl]phenoxazine is sourced from PubChem (CID 122430932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).